N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0564 |
| Compound Name: | N-(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 526.04 |
| Molecular Formula: | C27 H32 Cl N5 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(NCCCN2CCCCCC2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1325 |
| logD: | 0.5039 |
| logSw: | -3.5603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.718 |
| InChI Key: | CNALQLHPRVQTLZ-UHFFFAOYSA-N |